The Lennard-Jones well depth $\epsilon$ is typically given in energy units ($\mathrm{kJ}$ or $\mathrm{kcal}$; sometimes per mole). Jasper and Miller, however, reported $\epsilon$ values in reciprocal centimeters ($\mathrm{cm^{-1}}$).
Why use $\mathrm{cm^{-1}}$?
- It seems unnatural using $hc$ as a conversion factor for a classical description.
- Absorption peaks (e.g. in wavenumbers) are not related to the LJ potential well, which is for non-bonded interactions.
Ahren W. Jasper, James A. Miller, Combust. and Flame 2014, 161 (1), 101–110. (preprint pdf)